5088-46-0

Basic information

• Product Name: 13,14-dioxatricyclo[8.2.1.1~4,7~]tetradeca-1(12),4,6,10-tetraene
• CAS NO: 5088-46-0
• Molecular Formula: C₁₂H₁₂O₂
• Molecular Weight: 188.2225
• Mol File: 5088-46-0.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 265.8°C at 760 mmHg
• Flash Point: 115.2°C
• Density: 1.126g/cm³
• Vapor Pressure: 0.0147mmHg at 25°C
• Refractive Index: 1.537
• CAS DataBase Reference: 13,14-dioxatricyclo[8.2.1.1~4,7~]tetradeca-1(12),4,6,10-tetraene(CAS DataBase Reference)
• NIST Chemistry Reference: 13,14-dioxatricyclo[8.2.1.1~4,7~]tetradeca-1(12),4,6,10-tetraene(5088-46-0)
• EPA Substance Registry System: 13,14-dioxatricyclo[8.2.1.1~4,7~]tetradeca-1(12),4,6,10-tetraene(5088-46-0)

Safety Data

• Hazardous Substances Data: 5088-46-0(Hazardous Substances Data)

Usage

Description

13,14-dioxatricyclo[8.2.1.1~4,7~]tetradeca-1(12),4,6,10-tetraene is a bicyclic chemical compound with a complex molecular structure. It consists of four fused rings and contains 14 carbon atoms, 16 hydrogen atoms, and 2 oxygen atoms, as indicated by its molecular formula C14H16O2. 13,14-dioxatricyclo[8.2.1.1~4,7~]tetradeca-1(12),4,6,10-tetraene features a tetradeca-1(12),4,6,10-tetraene core structure with a total of 14 carbon atoms and four double bonds. Its unique properties and potential applications make it a promising candidate for various fields, including pharmaceuticals, materials science, and organic chemistry research.

Uses

Used in Pharmaceutical Industry:
13,14-dioxatricyclo[8.2.1.1~4,7~]tetradeca-1(12),4,6,10-tetraene is used as a pharmaceutical compound for its potential therapeutic properties. Its unique molecular structure allows it to interact with biological targets, making it a candidate for the development of new drugs and treatments.
Used in Materials Science:
In the field of materials science, 13,14-dioxatricyclo[8.2.1.1~4,7~]tetradeca-1(12),4,6,10-tetraene is used as a component in the development of advanced materials. Its specific molecular structure can contribute to the creation of new materials with unique properties, such as improved strength, flexibility, or chemical resistance.
Used in Organic Chemistry Research:
13,14-dioxatricyclo[8.2.1.1~4,7~]tetradeca-1(12),4,6,10-tetraene is utilized as a research compound in organic chemistry. Its complex structure and potential reactivity make it an interesting subject for studying chemical reactions, mechanisms, and the development of new synthetic methods.

Upstream product

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Relevant articles and documents

An Improved Synthesis of 3,6-Dihydro- as -indacene

This contribution describes an updated synthetic route to 3,6-dihydro- as -indacene along with full characterization of all inter mediates. The title compound is prepared by Mannich condensation of 2-methylfuran with formaldehyde and dimethylamine hydrochloride, quaternization of the resulting amine with methyl iodide, and conversion into the ammonium hydroxide salt by treatment with silver oxide in water. Subsequent Hoffmann elimination and [6,6]-cycloaddition through pyrolysis produces a furanocyclophane, which after photooxidation, intramolecular cycloaddition, and dehydration with sodium carbonate affords 2,3,6,7-tetrahydro-1,8-dione- as -indacene. Reduction of this diketone gives a mixture of alcohols, which after dehydration under slightly basic or acidic conditions produces 3,6-dihydro- as -indacene. The structure is confirmed by X-ray diffraction, and all intermediates are characterized by means of 1H and 13C NMR spectroscopy.

NMR studies of bond order in distorted aromatic systems

The 4JH-C=C-Me coupling constant has been previously established1,2 as a probe of bond order. This has now been used to examine the bond orders of compounds containing severely distorted benzene nuclei. In the case of 3,4-di-tert-butyltoluene, no electronic distortions in the aromatic ring can be detected by this method. A series of moderately to severely distorted paracyclophanes show no perturbation of electronic structure, with the possible exception of 8-methyl[6]paracyclophane, which exhibits a barely significant deviation from unstrained values. These conclusions are supported by the results of SCF-MO calculations.